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Chemical ID: 7027120

Chemical ID:

7027120

Name [?]:

4-(4-fluorophenyl)-N-[(4-isopropylphenyl)methyleneamino]thiazol-2-amine

SMILES [?]:

CC(C)c1ccc(cc1)C=NNc2nc(cs2)c3ccc(cc3)F

InChi [?]:

InChI=1/C19H18FN3S/c1-13(2)15-5-3-14(4-6-15)11-21-23-19-22-18(12-24-19)16-7-9-17(20)10-8-16/h3-13H,1-2H3,(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,3,6,8,5,9,19,23,20,22,10,16,2,7,4,18,21,15,13,24,11,14,12,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:24nCCCCCCCCCCNNCNCCSCCCCCCF/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₈FN₃S
All Atoms:	42
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	11.0913
Area:	567.33
Solvation:	-3.09192
Coulombic:	-22.5309

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	5
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	339.431
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	6.74
LogP (Chemaxon):	6.48

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value